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methyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate

methyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate

CAS: 186268-77-9

Formula: C13H21NO4

SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OC

IUPAC: methyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate

InChI: InChI=1/C13H21NO4/c1-5-13(2,3)10(15)11(16)14-8-6-7-9(14)12(17)18-4/h9H,5-8H2,1-4H3

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VLNHKSCDLQIJMI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.05
Topological Polar Surface Area 63.68
Polarizability 26.05
Ring Count 1
Rotatable Bond Count 5

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 186268-77-9 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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